5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole

C36H37N — CID 58161270

IUPAC5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole
SMILESCc1c(C)n(-c2ccc3ccccc3c2)c2cc3c(C(C)(C)C)c4ccccc4c(C(C)(C)C)c3cc12
InChIInChI=1S/C36H37N/c1-22-23(2)37(26-18-17-24-13-9-10-14-25(24)19-26)32-21-31-30(20-29(22)32)33(35(3,4)5)27-15-11-12-16-28(27)34(31)36(6,7)8/h9-21H,1-8H3
InChIKeyLKWGGXRKQFSNRU-UHFFFAOYSA-N
MW483.70 g/mol
LogP10.30
Rot. Bonds1

About 5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole

5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole (PubChem CID 58161270) has the molecular formula C36H37N and a molecular weight of 483.70 g/mol. Its IUPAC name is 5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole.

Molecular Properties

Compound Name5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole
PubChem CID58161270
Molecular FormulaC36H37N
Molecular Weight483.70 g/mol
Exact Mass483.29
IUPAC Name5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole
SMILESCc1c(C)n(-c2ccc3ccccc3c2)c2cc3c(C(C)(C)C)c4ccccc4c(C(C)(C)C)c3cc12
InChIInChI=1S/C36H37N/c1-22-23(2)37(26-18-17-24-13-9-10-14-25(24)19-26)32-21-31-30(20-29(22)32)33(35(3,4)5)27-15-11-12-16-28(27)34(31)36(6,7)8/h9-21H,1-8H3
InChIKeyLKWGGXRKQFSNRU-UHFFFAOYSA-N
XLogP10.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.70
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,12-ditert-butyl-7,8,17,18-tetramethyl-6,16-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
CID 58131780
1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole
CID 58536037
N-[4-(5,10-ditert-butyl-2,3-dimethylnaphtho[2,3-f]indol-1-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 58161207
5-tert-butyl-1-[6-[6-[6-(5-tert-butyl-2,3-dimethylindol-1-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]-2,3-dimethylindole
CID 138579833
1-(9,10-ditert-butylanthracen-2-yl)-2,5-diphenylpyrrole;2-methyl-9,10-dinaphthalen-2-ylanthracene
CID 158133992
3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole
CID 58175201
13-tert-butylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 140946482
11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole
CID 149025135
7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
CID 58131803
N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
CID 59184250
3-(10-methylanthracen-9-yl)-9-naphthalen-2-ylcarbazole
CID 121339810
11-naphthalen-2-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-b]carbazole
CID 167029703

Frequently Asked Questions

What is the IUPAC name of 5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole?
The IUPAC name of 5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole (CID 58161270) is 5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole.
What is the SMILES notation for 5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole?
The canonical SMILES for 5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole is Cc1c(C)n(-c2ccc3ccccc3c2)c2cc3c(C(C)(C)C)c4ccccc4c(C(C)(C)C)c3cc12.
What is the InChIKey of 5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole?
The InChIKey is LKWGGXRKQFSNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N/c1-22-23(2)37(26-18-17-24-13-9-10-14-25(24)19-26)32-21-31-30(20-29(22)32)33(35(3,4)5)27-15-11-12-16-28(27)34(31)36(6,7)8/h9-21H,1-8H3.
What are the key properties of 5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole?
5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole has a molecular weight of 483.70 g/mol, XLogP of 10.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole is sourced from PubChem (CID 58161270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).